2-{[4-allyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide

SpectraBase Compound ID	8r3bDfczP9k
InChI	InChI=1S/C20H16ClF3N4OS/c1-2-10-28-18(15-8-3-4-9-16(15)21)26-27-19(28)30-12-17(29)25-14-7-5-6-13(11-14)20(22,23)24/h2-9,11H,1,10,12H2,(H,25,29)
InChIKey	GMFYYKAELKMFAQ-UHFFFAOYSA-N Google Search
Mol Weight	452.88 g/mol
Molecular Formula	C20H16ClF3N4OS
Exact Mass	452.068545 g/mol

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SpectraBase Spectrum ID	GbAxvXO0gQ
Name	2-{[4-allyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C20H16ClF3N4OS/c1-2-10-28-18(15-8-3-4-9-16(15)21)26-27-19(28)30-12-17(29)25-14-7-5-6-13(11-14)20(22,23)24/h2-9,11H,1,10,12H2,(H,25,29)
InChIKey	GMFYYKAELKMFAQ-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_14352
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: D98246; Labnumber: GRES-17929; SBI_ID: SBI-014355
Temperature	308 °C